C761-1411 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)propanamide

C761-1411 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)propanamide
C761-1411 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1411
N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C761-1411

Molecular Formula

C13H14BrNO3S (C13 H14 BrNO3 S)

Compound Name

N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)propanamide

IUPAC name

N-(4-bromophenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)propanamide

SMILES

CCC(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1Br)=O

InChI

InChI=1S/C13H14BrNO3S/c1-2-13(16)15(11-5-3-10(14)4-6-11)12-7-8-19(17,18)9-12/h3-8,12H,2,9H2,1H3/t12-/m1/s1

InChI Key

LOKUKGVYIDCAJU-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD05715339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.51

Polar Surface Area

43.124

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

C761-1411 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C761-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1411?
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What is the minimum amount of C761-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1411
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C761-1411 available by request